N-[4-cyano-3-(difluoromethoxy)phenyl]acetamide

C10H8F2N2O2 — CID 2374952

IUPACN-[4-cyano-3-(difluoromethoxy)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C#N)c(OC(F)F)c1
InChIInChI=1S/C10H8F2N2O2/c1-6(15)14-8-3-2-7(5-13)9(4-8)16-10(11)12/h2-4,10H,1H3,(H,14,15)
InChIKeyMMFUQFZDFWWOAN-UHFFFAOYSA-N
MW226.18 g/mol
LogP2.12
Rot. Bonds3

About N-[4-cyano-3-(difluoromethoxy)phenyl]acetamide

N-[4-cyano-3-(difluoromethoxy)phenyl]acetamide (PubChem CID 2374952) has the molecular formula C10H8F2N2O2 and a molecular weight of 226.18 g/mol. Its IUPAC name is N-[4-cyano-3-(difluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-cyano-3-(difluoromethoxy)phenyl]acetamide
PubChem CID2374952
Molecular FormulaC10H8F2N2O2
Molecular Weight226.18 g/mol
Exact Mass226.06
IUPAC NameN-[4-cyano-3-(difluoromethoxy)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C#N)c(OC(F)F)c1
InChIInChI=1S/C10H8F2N2O2/c1-6(15)14-8-3-2-7(5-13)9(4-8)16-10(11)12/h2-4,10H,1H3,(H,14,15)
InChIKeyMMFUQFZDFWWOAN-UHFFFAOYSA-N
XLogP2.12
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.18
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-cyano-3-(difluoromethoxy)phenyl]acetamide?
The IUPAC name of N-[4-cyano-3-(difluoromethoxy)phenyl]acetamide (CID 2374952) is N-[4-cyano-3-(difluoromethoxy)phenyl]acetamide.
What is the SMILES notation for N-[4-cyano-3-(difluoromethoxy)phenyl]acetamide?
The canonical SMILES for N-[4-cyano-3-(difluoromethoxy)phenyl]acetamide is CC(=O)Nc1ccc(C#N)c(OC(F)F)c1.
What is the InChIKey of N-[4-cyano-3-(difluoromethoxy)phenyl]acetamide?
The InChIKey is MMFUQFZDFWWOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2O2/c1-6(15)14-8-3-2-7(5-13)9(4-8)16-10(11)12/h2-4,10H,1H3,(H,14,15).
What are the key properties of N-[4-cyano-3-(difluoromethoxy)phenyl]acetamide?
N-[4-cyano-3-(difluoromethoxy)phenyl]acetamide has a molecular weight of 226.18 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyano-3-(difluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 2374952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).